Home Nitriles 4-Chloro-1h-pyrazole-5-carbonitrile

4-Chloro-1h-pyrazole-5-carbonitrile

CAS No.:
36650-75-6
Catalog Number:
AG00CN4P
Molecular Formula:
C4H2ClN3
Molecular Weight:
127.5318
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Product Description
Catalog Number:
AG00CN4P
Chemical Name:
4-Chloro-1h-pyrazole-5-carbonitrile
CAS Number:
36650-75-6
Molecular Formula:
C4H2ClN3
Molecular Weight:
127.5318
MDL Number:
MFCD23135779
IUPAC Name:
4-chloro-1H-pyrazole-5-carbonitrile
InChI:
InChI=1S/C4H2ClN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
InChI Key:
DRLRMARVPKWWMT-UHFFFAOYSA-N
SMILES:
Clc1cn[nH]c1C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.994g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.531g/mol
Monoisotopic Mass:
126.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties